4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

C23H27N7O3S — CID 31420109

IUPAC4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H27N7O3S/c1-29-23(26-27-28-29)34-16-21(31)24-19-9-7-18(8-10-19)22(32)25-20(17-5-3-2-4-6-17)15-30-11-13-33-14-12-30/h2-10,20H,11-16H2,1H3,(H,24,31)(H,25,32)/t20-/m0/s1
InChIKeyAVCILIOZBXDSAQ-FQEVSTJZSA-N
MW481.58 g/mol
LogP1.74
Rot. Bonds9

About 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 31420109) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID31420109
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H27N7O3S/c1-29-23(26-27-28-29)34-16-21(31)24-19-9-7-18(8-10-19)22(32)25-20(17-5-3-2-4-6-17)15-30-11-13-33-14-12-30/h2-10,20H,11-16H2,1H3,(H,24,31)(H,25,32)/t20-/m0/s1
InChIKeyAVCILIOZBXDSAQ-FQEVSTJZSA-N
XLogP1.74
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
N-[cyclopropyl(phenyl)methyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 42890430
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24665525
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 41194112
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 41194109
5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 112834585
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1295863
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 41271980

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 31420109) is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is AVCILIOZBXDSAQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N7O3S/c1-29-23(26-27-28-29)34-16-21(31)24-19-9-7-18(8-10-19)22(32)25-20(17-5-3-2-4-6-17)15-30-11-13-33-14-12-30/h2-10,20H,11-16H2,1H3,(H,24,31)(H,25,32)/t20-/m0/s1.
What are the key properties of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 481.58 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 31420109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).