2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide

C16H21N5O3S — CID 109247115

IUPAC2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H21N5O3S/c1-11(2)21-16-19-9-13(10-20-16)15(22)18-8-7-12-3-5-14(6-4-12)25(17,23)24/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H2,17,23,24)(H,19,20,21)
InChIKeyYXGIFMHAKSUYFV-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.92
Rot. Bonds7

About 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide

2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109247115) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109247115
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H21N5O3S/c1-11(2)21-16-19-9-13(10-20-16)15(22)18-8-7-12-3-5-14(6-4-12)25(17,23)24/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H2,17,23,24)(H,19,20,21)
InChIKeyYXGIFMHAKSUYFV-UHFFFAOYSA-N
XLogP0.92
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylpropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109248675
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide (CID 109247115) is 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is YXGIFMHAKSUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-11(2)21-16-19-9-13(10-20-16)15(22)18-8-7-12-3-5-14(6-4-12)25(17,23)24/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H2,17,23,24)(H,19,20,21).
What are the key properties of 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide?
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109247115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).