N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide

C24H30N6O4S — CID 649747

IUPACN-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C24H30N6O4S/c1-16(24(32)25-18-7-4-5-8-18)29(14-19-9-6-12-35-19)22(31)15-30-27-23(26-28-30)17-10-11-20(33-2)21(13-17)34-3/h6,9-13,16,18H,4-5,7-8,14-15H2,1-3H3,(H,25,32)
InChIKeyAFFSYQNBVLOHMA-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.89
Rot. Bonds10

About N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide

N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 649747) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide
PubChem CID649747
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC NameN-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C24H30N6O4S/c1-16(24(32)25-18-7-4-5-8-18)29(14-19-9-6-12-35-19)22(31)15-30-27-23(26-28-30)17-10-11-20(33-2)21(13-17)34-3/h6,9-13,16,18H,4-5,7-8,14-15H2,1-3H3,(H,25,32)
InChIKeyAFFSYQNBVLOHMA-UHFFFAOYSA-N
XLogP2.89
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
N-Benzo[1,3]dioxol-5-ylmethyl-N-[(3-methyl-butylcarbamoyl)-methyl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 650873
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-thiophen-2-ylmethyl-acetamide
CID 653914
2-(Cyclohexyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-butyramide
CID 654985
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-benzyl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 1143452
2-({2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-N-(3-methyl-butyl)-propionamide
CID 3179384
N-Cyclopentyl-2-({2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-butyramide
CID 3179913
2-{Benzo[1,3]dioxol-5-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-N-benzyl-2-(4-fluoro-phenyl)-acetamide
CID 3190198
2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347937
N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 53347965

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide (CID 649747) is N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide is COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C)C(=O)NC3CCCC3)n2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is AFFSYQNBVLOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-16(24(32)25-18-7-4-5-8-18)29(14-19-9-6-12-35-19)22(31)15-30-27-23(26-28-30)17-10-11-20(33-2)21(13-17)34-3/h6,9-13,16,18H,4-5,7-8,14-15H2,1-3H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide?
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 498.61 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 649747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).